4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline

C13H13FN2O2 — CID 63590604

IUPAC4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
SMILESCCOc1cccc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-2-17-12-4-3-5-13(16-12)18-9-6-7-11(15)10(14)8-9/h3-8H,2,15H2,1H3
InChIKeyOAFVLLKPUXOLNW-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.99
Rot. Bonds4

About 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline

4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline (PubChem CID 63590604) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
PubChem CID63590604
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
SMILESCCOc1cccc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-2-17-12-4-3-5-13(16-12)18-9-6-7-11(15)10(14)8-9/h3-8H,2,15H2,1H3
InChIKeyOAFVLLKPUXOLNW-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline?
The IUPAC name of 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline (CID 63590604) is 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline is CCOc1cccc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline?
The InChIKey is OAFVLLKPUXOLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-17-12-4-3-5-13(16-12)18-9-6-7-11(15)10(14)8-9/h3-8H,2,15H2,1H3.
What are the key properties of 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline?
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline has a molecular weight of 248.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline is sourced from PubChem (CID 63590604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).